SCHEMBL3429987

SCHEMBL3429987

COc1cc2c(Nc3ccn(CC(=O)Nc4cccc(F)c4)n3)ncnc2cc1OCCCN1CCC[C@H]1COP(=O)(O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 15/20 0.64
AURKB Q96GD4 5/20 0.64
PDGFRB P09619 1/20 0.54
FLT4 P35916 1/20 0.54
FLT3 P36888 1/20 0.54
KDR P35968 3/20 0.52
EGFR P00533 1/20 0.52
IGF1R P08069 1/20 0.52
FGFR1 P11362 1/20 0.52
SRC P12931 1/20 0.52
FGFR2 P21802 1/20 0.52
FGFR4 P22455 1/20 0.52
FGFR3 P22607 1/20 0.52
CDK2 P24941 1/20 0.52
CSK P41240 1/20 0.52
JAK3 P52333 1/20 0.52
PTK2 Q05397 1/20 0.52
CYP3A4 P08684 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5043023 1.00 AURKA (0.64) AURKAAURKBPDGFRBFLT4FLT3
SCHEMBL3429981 0.96 AURKA (0.65) AURKAAURKBPDGFRBFLT4FLT3
SCHEMBL5043450 0.92 AURKA (0.76) AURKAAURKBPDGFRBFLT4FLT3
SCHEMBL5044178 0.90 AURKA (0.65) AURKAAURKBPDGFRBCYP3A4
SCHEMBL3431784 0.90 FLT4 (0.69) AURKAAURKBPDGFRBFLT4FLT3
SCHEMBL3427443 0.90 FLT4 (0.69) AURKAAURKBPDGFRBFLT4FLT3
SCHEMBL5132903 0.90 AURKA (0.66) AURKAAURKBPDGFRBFLT4FLT3
SCHEMBL5132902 0.89 AURKA (0.65) AURKAAURKBPDGFRBFLT4FLT3
SCHEMBL6024737 0.89 AURKA (0.53) AURKAAURKBKDREGFRIGF1R
SCHEMBL3489845 0.87 AURKA (0.85) AURKAAURKB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 AURKA 466/4885AURKB 369/4885PDGFRB 1544/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.